SCHEMBL699056

SCHEMBL699056

COc1cccc(-c2cc(C)[c]c(C)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
CYP1A1 P04798 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2E1 P05181 1/20 0.64
CYP2C8 P10632 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2A6 P11509 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP4B1 P13584 1/20 0.64
CYP2B6 P20813 1/20 0.64
CYP3A5 P20815 1/20 0.64
CYP2A7 P20853 1/20 0.64
CYP3A7 P24462 1/20 0.64
CYP2F1 P24903 1/20 0.64
CYP2C18 P33260 1/20 0.64
CYP2C19 P33261 1/20 0.64
CYP2J2 P51589 1/20 0.64
CYP4F2 P78329 1/20 0.64
CYP4F8 P98187 1/20 0.64
CYP4A11 Q02928 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5620245 0.86 CYP3A4 (0.86) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29489425 0.83 CYP3A4 (0.73) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL196765 0.83 CYP3A4 (0.73) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL7839219 0.81 CYP1A1 (0.55) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
Ammonia Solution, Strong SCHEMBL27960505 0.81 CYP3A4 (0.70) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
Hydrogen Sulfide SCHEMBL28640169 0.81 CYP3A4 (0.70) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29628977 0.81 CYP3A4 (0.77) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL23743214 0.79 CYP1A1 (1.00) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL1180343 0.79 ABL1 (0.69) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL20022147 0.78 ACHE (0.69) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed
EP-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 EP disclosed
CN-104892431-B Insecticide for agricultural or horticultural use prepares intermediate 三井化学株式会社 2018-05-01 CN disclosed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP disclosed
CN-102718665-B Insecticide for agricultural or horticultural use prepare intermediate MITSUI CHEMICAL INDUSTRY CO., LTD. (JP) 2015-09-16 CN disclosed
CN-104892431-A Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS INC 2015-09-09 CN disclosed
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 US disclosed
US-9089133-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2015-07-28 US disclosed
CN-102976984-B Preparation intermediate of insecticide for agricultural and horticultural uses MITSUI CHEMICALS INC 2015-04-08 CN disclosed
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2013-03-14 US disclosed
CN-102718665-A Preparation intermediate of insecticide for agricultural and horticultural uses MITSUI CHEMICALS INC 2012-10-10 CN disclosed
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS, INC. (JP) 2012-08-30 US disclosed
US-8158814-B2 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS, INC. (JP) 2012-04-17 US disclosed
EP-2423188-A1 Agricultural/Horticultural Insecticide and Method for Using the Same MITSUI CHEMICALS AGRO, INC. (JP) 2012-02-29 EP disclosed
CN-101684079-A Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS INC 2010-03-31 CN disclosed
CN-100554249-C Agricultural and horticultural insecticide and method of use thereof MITSUI CHEMICALS INC (JP) 2009-10-28 CN disclosed
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof MITSUI CHEMICALS., INC. (JP) 2007-02-01 US disclosed
CN-1871209-A Agricultural and horticultural insecticide and method of use thereof MITSUI CHEMICALS INC (JP) 2006-11-29 CN disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120220802-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP1A2, CYP2C9, CYP3A7 CYP3A4 17/4885CYP1A1 20/4885CYP1A2 1/4885
US-20130066114-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF CYP2C8, CYP4F8, CYP3A7 CYP3A4 16/4885CYP1A1 18/4885CYP1A2 4/4885
US-20070027154-A1 Insecticide for agricultural or horticultural use and method of use thereof CBR3, ATL3, CNPY2 CYP3A4 103/4885CYP1A1 22/4885CYP1A2 66/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.